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Title: Crystal structure and thermal expansion of a CsCe2Cl7 scintillator

Here we used single-crystal X-ray diffraction data to determine crystal structure of CsCe2Cl7. It crystallizes in a P1121/b space group with a = 19.352(1) Å, b = 19.352(1) Å, c = 14.838(1) Å, γ = 119.87(2) ° , and V = 4818.6(5) Å3. Differential scanning calorimetry measurements combined with the structural evolution of CsCe2Cl7 via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid-solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3 10-6/ °C) with respect to the b and c axes (27.0 10-6/ °C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. Lastly, these findings suggest that the reported cracking behavior during melt growth of CsCe2Cl7 bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [5] ;  [1]
  1. Univ. of Tennessee, Knoxville, TN (United States). Scintillation Materials Research Center; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
  5. Univ. of Illinois, Urbana, IL (United States). Dept. of Materials Science and Engineering
Publication Date:
OSTI Identifier:
1265418
Grant/Contract Number:
AC05-00OR22725; 2012-DN-077-ARI067-03
Type:
Accepted Manuscript
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 227; Journal Issue: C; Journal ID: ISSN 0022-4596
Publisher:
Elsevier
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY scintillator; novel crystal structure; x-ray diffraction; crystal growth